Abstract

MOLECULAR DOCKING STUDIES OF TRIAMCINOLONE DERIVATIVES AGAINST MPB64 GENE RESPONSIBLE FOR EALES DISEASE

Shivani Dixit, Pallavi Gangwar*, Ankur Mohan

ABSTRACT

Eales disease is an idiopathic inflammatory ocular disease that primarily affects the peripheral retina of adults. Eales disease is characterised by inflammation(vasculitis), abnormal growth of new blood vessels (neovascularization), blockage of retinal blood vessels, capillary non-perfusion, recurrent vitreous hemorrhages, which is the hallmark of Eales disease. Eales disease mainly involves the peripheral fundus and occurring predominantly in young and healthy adult males. The etiology of the disease is unknown but the clinical appearance and progression are to other diseases of retina such as diabetic and sickle cell retinopathies. The sequence, structure & functional analysis of the concerned protein were studied through BLAST and other biological databases. Since, the precise structure of Immunogenic protein Mpt64 is not yet available, therefore, a theoretical model of the protein was generated using Easy Modeller 4.0. The best model with DOPE score -15648.14746 was obtained. Docking studies of various compounds downloaded from drugbank database have been carried out in the active site of Immunogeneic protein MPB64 by using AutodockVina 4.2. The derivatives designed through chemsketch shows better binding energy [9,18- difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione:-14.7 kcal/mol] in comparison to the drug available in various public databases(Triamcinolone: -14.3 kcal/mol).

Keywords: Ealesdisease, idiopathic, oculardisease, vasculitis, neovascularization, retinalhemorrhages.